Molecule

ID:79163

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₄N₂O₂
Molecular Mass
392.0641
Exact Mass
389.94963829
Charge
0
InChI
InChI=1S/C15H10Cl4N2O2/c1-8-6-9(16)2-4-11(8)23-12-5-3-10(7-20-12)21-15(22)13(17)14(18)19/h2-7H,1H3,(H,21,22)
InChIKey
SBIIFCNDWQWMJJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)Oc1ccc(cn1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1ccc(nc1)Oc1ccc(cc1C)Cl)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.925454
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1050534
LogD (pH = 7.4)
5.105056
Log P
5.105068
Molar Refractivity
105.003
Polarizability
35.568676
Polar Surface Area
51.22
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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